| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.971 |
0.000 |
0.000 |
-0.044 |
0.000 |
0.000 |
Slide |
0.000 |
3.542 |
1.235 |
0.000 |
-0.057 |
-0.268 |
Rise |
0.000 |
1.235 |
7.393 |
0.000 |
-0.071 |
-0.159 |
Tilt |
-0.044 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
-0.057 |
-0.071 |
0.000 |
0.021 |
0.008 |
Twist |
0.000 |
-0.268 |
-0.159 |
0.000 |
0.008 |
0.048 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.228 |
0.000 |
0.000 |
-0.082 |
0.000 |
0.000 |
Slide |
0.000 |
2.492 |
0.827 |
0.000 |
-0.081 |
-0.159 |
Rise |
0.000 |
0.826 |
7.563 |
0.000 |
-0.015 |
-0.176 |
Tilt |
-0.082 |
0.000 |
0.000 |
0.033 |
0.000 |
0.000 |
Roll |
0.000 |
-0.081 |
-0.015 |
0.000 |
0.022 |
0.011 |
Twist |
0.000 |
-0.159 |
-0.176 |
0.000 |
0.011 |
0.031 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
2.044 |
0.000 |
0.000 |
-0.059 |
0.000 |
0.000 |
Slide |
0.000 |
3.856 |
1.196 |
0.000 |
-0.053 |
-0.289 |
Rise |
0.000 |
1.196 |
7.650 |
0.000 |
-0.058 |
-0.155 |
Tilt |
-0.059 |
0.000 |
0.000 |
0.028 |
0.000 |
0.000 |
Roll |
0.000 |
-0.053 |
-0.058 |
0.000 |
0.023 |
0.007 |
Twist |
0.000 |
-0.289 |
-0.155 |
0.000 |
0.007 |
0.052 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.302 |
0.000 |
0.000 |
-0.079 |
0.000 |
0.000 |
Slide |
0.000 |
2.520 |
0.879 |
0.000 |
-0.084 |
-0.159 |
Rise |
0.000 |
0.879 |
7.354 |
0.000 |
-0.032 |
-0.172 |
Tilt |
-0.079 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.084 |
-0.032 |
0.000 |
0.023 |
0.012 |
Twist |
0.000 |
-0.159 |
-0.172 |
0.000 |
0.012 |
0.031 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.976 |
0.000 |
0.000 |
-0.058 |
0.000 |
0.000 |
Slide |
0.000 |
3.768 |
1.248 |
0.000 |
-0.063 |
-0.295 |
Rise |
0.000 |
1.248 |
7.350 |
0.000 |
-0.062 |
-0.154 |
Tilt |
-0.058 |
0.000 |
0.000 |
0.025 |
0.000 |
0.000 |
Roll |
0.000 |
-0.063 |
-0.062 |
0.000 |
0.021 |
0.008 |
Twist |
0.000 |
-0.295 |
-0.154 |
0.000 |
0.008 |
0.051 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.174 |
0.000 |
0.000 |
-0.074 |
0.000 |
0.000 |
Slide |
0.000 |
2.320 |
0.813 |
0.000 |
-0.078 |
-0.150 |
Rise |
0.000 |
0.813 |
7.640 |
0.000 |
-0.018 |
-0.177 |
Tilt |
-0.074 |
0.000 |
0.000 |
0.031 |
0.000 |
0.000 |
Roll |
0.000 |
-0.078 |
-0.018 |
0.000 |
0.022 |
0.011 |
Twist |
0.000 |
-0.150 |
-0.177 |
0.000 |
0.011 |
0.030 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.166 |
0.000 |
0.000 |
0.005 |
0.000 |
0.000 |
Slide |
0.000 |
4.047 |
2.478 |
0.000 |
-0.011 |
-0.142 |
Rise |
0.000 |
2.478 |
11.081 |
0.000 |
0.105 |
-0.151 |
Tilt |
0.005 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.011 |
0.105 |
0.000 |
0.025 |
0.011 |
Twist |
0.000 |
-0.142 |
-0.151 |
0.000 |
0.011 |
0.047 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.482 |
0.000 |
0.000 |
-0.011 |
0.000 |
0.000 |
Slide |
0.000 |
4.195 |
2.228 |
0.000 |
0.005 |
-0.166 |
Rise |
0.000 |
2.228 |
9.884 |
0.000 |
0.063 |
-0.141 |
Tilt |
-0.011 |
0.000 |
0.000 |
0.043 |
0.000 |
0.000 |
Roll |
0.000 |
0.005 |
0.063 |
0.000 |
0.028 |
0.009 |
Twist |
0.000 |
-0.166 |
-0.141 |
0.000 |
0.009 |
0.055 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.019 |
0.000 |
0.000 |
0.019 |
0.000 |
0.000 |
Slide |
0.000 |
3.565 |
2.195 |
0.000 |
-0.028 |
-0.040 |
Rise |
0.000 |
2.195 |
10.150 |
0.000 |
0.062 |
-0.140 |
Tilt |
0.019 |
0.000 |
0.000 |
0.036 |
0.000 |
0.000 |
Roll |
0.000 |
-0.028 |
0.062 |
0.000 |
0.026 |
0.012 |
Twist |
0.000 |
-0.040 |
-0.140 |
0.000 |
0.012 |
0.032 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
1.201 |
0.000 |
0.000 |
0.007 |
0.000 |
0.000 |
Slide |
0.000 |
4.055 |
2.438 |
0.000 |
-0.015 |
-0.170 |
Rise |
0.000 |
2.438 |
10.701 |
0.000 |
0.078 |
-0.170 |
Tilt |
0.007 |
0.000 |
0.000 |
0.040 |
0.000 |
0.000 |
Roll |
0.000 |
-0.015 |
0.078 |
0.000 |
0.026 |
0.012 |
Twist |
0.000 |
-0.170 |
-0.170 |
0.000 |
0.012 |
0.051 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.249 |
0.000 |
0.000 |
0.015 |
0.000 |
0.000 |
Slide |
0.000 |
0.647 |
-0.011 |
0.000 |
-0.005 |
0.010 |
Rise |
0.000 |
-0.011 |
2.323 |
0.000 |
-0.035 |
-0.035 |
Tilt |
0.015 |
0.000 |
0.000 |
0.010 |
0.000 |
0.000 |
Roll |
0.000 |
-0.005 |
-0.035 |
0.000 |
0.004 |
-0.000 |
Twist |
0.000 |
0.010 |
-0.035 |
0.000 |
-0.000 |
0.005 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.858 |
0.000 |
0.000 |
-0.013 |
0.000 |
0.000 |
Slide |
0.000 |
1.334 |
1.021 |
0.000 |
0.002 |
-0.037 |
Rise |
0.000 |
1.021 |
6.429 |
0.000 |
-0.095 |
-0.195 |
Tilt |
-0.013 |
0.000 |
0.000 |
0.021 |
0.000 |
0.000 |
Roll |
0.000 |
0.002 |
-0.095 |
0.000 |
0.018 |
0.011 |
Twist |
0.000 |
-0.037 |
-0.195 |
0.000 |
0.011 |
0.020 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.785 |
0.000 |
0.000 |
-0.014 |
0.000 |
0.000 |
Slide |
0.000 |
1.360 |
0.986 |
0.000 |
0.003 |
-0.051 |
Rise |
0.000 |
0.986 |
6.116 |
0.000 |
-0.092 |
-0.193 |
Tilt |
-0.014 |
0.000 |
0.000 |
0.020 |
0.000 |
0.000 |
Roll |
0.000 |
0.003 |
-0.092 |
0.000 |
0.017 |
0.011 |
Twist |
0.000 |
-0.051 |
-0.193 |
0.000 |
0.011 |
0.021 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.833 |
0.000 |
0.000 |
-0.014 |
0.000 |
0.000 |
Slide |
0.000 |
1.290 |
0.942 |
0.000 |
0.006 |
-0.031 |
Rise |
0.000 |
0.942 |
6.297 |
0.000 |
-0.090 |
-0.183 |
Tilt |
-0.014 |
0.000 |
0.000 |
0.021 |
0.000 |
0.000 |
Roll |
0.000 |
0.006 |
-0.090 |
0.000 |
0.017 |
0.011 |
Twist |
0.000 |
-0.031 |
-0.183 |
0.000 |
0.011 |
0.020 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)
| Shift | Slide | Rise | Tilt | Roll | Twist |
Shift |
0.354 |
0.000 |
0.000 |
0.023 |
0.000 |
0.000 |
Slide |
0.000 |
0.764 |
-0.009 |
0.000 |
-0.007 |
0.019 |
Rise |
0.000 |
-0.009 |
2.637 |
0.000 |
-0.080 |
-0.085 |
Tilt |
0.023 |
0.000 |
0.000 |
0.013 |
0.000 |
0.000 |
Roll |
0.000 |
-0.007 |
-0.080 |
0.000 |
0.007 |
0.000 |
Twist |
0.000 |
0.019 |
-0.085 |
0.000 |
0.000 |
0.006 |
Units:
Diagonal Shift/Slide/Rise in kcal/(mol*Ų), Diagonal Tilt/Roll/Twist in kcal/(mol*degree²)
Out of Diagonal: Shift/Slide/Rise in kcal/(mol*Å), Out of Diagonal Tilt/Roll/Twist in kcal/(mol*degree)